1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine

C12H13ClFN3 — CID 82903595

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccc(Cl)cc1F)c1cncn1C
InChIInChI=1S/C12H13ClFN3/c1-15-12(11-6-16-7-17(11)2)9-4-3-8(13)5-10(9)14/h3-7,12,15H,1-2H3
InChIKeyHMTVYPFFZLSDCB-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine

1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (PubChem CID 82903595) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
PubChem CID82903595
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccc(Cl)cc1F)c1cncn1C
InChIInChI=1S/C12H13ClFN3/c1-15-12(11-6-16-7-17(11)2)9-4-3-8(13)5-10(9)14/h3-7,12,15H,1-2H3
InChIKeyHMTVYPFFZLSDCB-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902135
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687673
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
[(2,5-dichlorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264678
[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264680
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902455
N-methyl-1-(3-methylimidazol-4-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 82901718
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-isoquinolin-5-yl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901693
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (CID 82903595) is 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is CNC(c1ccc(Cl)cc1F)c1cncn1C.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The InChIKey is HMTVYPFFZLSDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-15-12(11-6-16-7-17(11)2)9-4-3-8(13)5-10(9)14/h3-7,12,15H,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine has a molecular weight of 253.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 82903595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).